SCHEMBL953687

SCHEMBL953687

CCOC(=O)c1sc(-c2c(C)nn3ccccc23)nc1-c1ccccc1Cl

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDC7 O00311 10/20 0.61
DBF4 Q9UBU7 10/20 0.61
MAPT P10636 3/20 0.45
KDM4E B2RXH2 2/20 0.45
ALDH1A1 P00352 2/20 0.45
HPGD P15428 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
NPC1 O15118 1/20 0.41
CASP3 P42574 1/20 0.41
RAB9A P51151 1/20 0.41
SENP8 Q96LD8 1/20 0.41
SENP7 Q9BQF6 1/20 0.41
SENP6 Q9GZR1 1/20 0.41
LMNA P02545 1/20 0.40
HTT P42858 1/20 0.40
TRPM8 Q7Z2W7 1/20 0.40
DHODH Q02127 1/20 0.39
GRM6 O15303 1/20 0.39
PDE2A O00408 1/20 0.39

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL953635 0.89 CDC7 (0.47) CDC7DBF4KDM4EALDH1A1HPGD
SCHEMBL954096 0.88 CDC7 (0.46) CDC7DBF4MAPTKDM4EALDH1A1
SCHEMBL953589 0.87 CDC7 (0.43) CDC7DBF4MAPTKDM4EALDH1A1
SCHEMBL954275 0.87 CDC7 (0.46) CDC7DBF4MAPTKDM4EALDH1A1
SCHEMBL953082 0.86 CDC7 (0.42) CDC7DBF4MAPTKDM4EALDH1A1
SCHEMBL957422 0.86 CDC7 (0.59) CDC7DBF4ALDH1A1HPGDTRPM8
SCHEMBL953769 0.83 CDC7 (0.59) CDC7DBF4MAPTKDM4EALDH1A1
SCHEMBL953629 0.83 CDC7 (0.50) CDC7DBF4MAPTKDM4EALDH1A1
SCHEMBL953710 0.82 CDC7 (0.51) CDC7DBF4KDM4EALDH1A1HPGD
SCHEMBL952685 0.81 LMNA (0.46) CDC7DBF4MAPTKDM4EALDH1A1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9139589-B2 Heteroaryls and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2015-09-22 US disclosed
US-9090601-B2 Thiazole derivatives MILLENNIUM PHARMACEUTICALS, INC. (US) 2015-07-28 US disclosed
EP-2391619-A1 HETEROARYLS AND THEIR USE AS PI3K INHIBITORS Millennium Pharmaceuticals, Inc. (US) 2011-12-07 EP disclosed
US-20110003807-A1 Thiazole derivatives MILLENNIUM PHARMACEUTICALS, INC. (US) 2011-01-06 US disclosed
US-20110003806-A1 Heteroaryls and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2011-01-06 US disclosed
WO-2010090716-A1 HETEROARYLS AND THEIR USE AS PI3K INHIBITORS MILLENNIUM PHARMACEUTICALS, INC. (US) 2010-08-12 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20110003807-A1 Thiazole derivatives MTOR, RICTOR, AKT2 CDC7 601/4885DBF4 3288/4885MAPT 2049/4885
US-20110003806-A1 Heteroaryls and uses thereof RICTOR, MTOR, AKT1S1 CDC7 1063/4885DBF4 3779/4885MAPT 4530/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.